Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8028   -1.0400    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3423    0.1732    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9246    0.4802    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.6142    0.4013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -0.5223   -0.1886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671   -0.2826   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588   -0.4565    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024   -0.2273    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9764    0.1731   -0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359    0.3446   -1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053    0.1111   -1.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957    0.4182   -0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8327    0.7809   -1.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2938    0.2364    0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1154   -1.8037   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8489   -1.2655    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0077    0.9728    0.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247   -0.7707    1.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968   -0.3563    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    0.6606   -2.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720    0.2408   -2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8872    0.7800    1.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083    0.5846    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2961   -0.8459    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers